SCHEMBL4438200

SCHEMBL4438200

Clc1nc(N2CCOCC2)c2ccoc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAT2A P31153 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PRKDC P78527 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL189922 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL1218884 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL17565791 0.75 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL4445677 0.75 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL4095134 0.74 KDM4E (0.69) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL190071 0.73 PIK3CA (0.66) PIK3R1PIK3CA
SCHEMBL30324572 0.73 KDM4E (0.34) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4439756 0.73 KDM4E (0.34) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL9429952 0.72 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTPOLBALDH1A1
SCHEMBL3718191 0.72 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTPOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA SMN1; SMN2 1323/4885KDM4E 3769/4885MAPT 1274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.